1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-(cyclohexen-1-yl)propan-2-ol

C15H23BrN2O — CID 116660265

IUPAC1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-(cyclohexen-1-yl)propan-2-ol
SMILESCCc1nn(C)c(CC(O)CC2=CCCCC2)c1Br
InChIInChI=1S/C15H23BrN2O/c1-3-13-15(16)14(18(2)17-13)10-12(19)9-11-7-5-4-6-8-11/h7,12,19H,3-6,8-10H2,1-2H3
InChIKeyNLIQJOBGHCYKBU-UHFFFAOYSA-N
MW327.27 g/mol
LogP3.54
Rot. Bonds5

About 1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-(cyclohexen-1-yl)propan-2-ol

1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-(cyclohexen-1-yl)propan-2-ol (PubChem CID 116660265) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-(cyclohexen-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-(cyclohexen-1-yl)propan-2-ol
PubChem CID116660265
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-(cyclohexen-1-yl)propan-2-ol
SMILESCCc1nn(C)c(CC(O)CC2=CCCCC2)c1Br
InChIInChI=1S/C15H23BrN2O/c1-3-13-15(16)14(18(2)17-13)10-12(19)9-11-7-5-4-6-8-11/h7,12,19H,3-6,8-10H2,1-2H3
InChIKeyNLIQJOBGHCYKBU-UHFFFAOYSA-N
XLogP3.54
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-(cyclohexen-1-yl)propan-2-ol
CID 116660165
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1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(cyclohexen-1-yl)-N-propylpropan-2-amine
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3-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]cyclohept-2-en-1-one
CID 107382873
1-[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-hydroxyethyl]cyclohexan-1-ol
CID 103451661
1-(cyclohexen-1-yl)-4-methylpentan-2-ol
CID 12869932
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4-ethylthiadiazol-5-yl)ethanol
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1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-methoxypentan-2-ol
CID 116710669
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanol
CID 105105694
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 105105696
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1-propylpyrazol-4-yl)ethanol
CID 103572568

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-(cyclohexen-1-yl)propan-2-ol?
The IUPAC name of 1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-(cyclohexen-1-yl)propan-2-ol (CID 116660265) is 1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-(cyclohexen-1-yl)propan-2-ol.
What is the SMILES notation for 1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-(cyclohexen-1-yl)propan-2-ol?
The canonical SMILES for 1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-(cyclohexen-1-yl)propan-2-ol is CCc1nn(C)c(CC(O)CC2=CCCCC2)c1Br.
What is the InChIKey of 1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-(cyclohexen-1-yl)propan-2-ol?
The InChIKey is NLIQJOBGHCYKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-3-13-15(16)14(18(2)17-13)10-12(19)9-11-7-5-4-6-8-11/h7,12,19H,3-6,8-10H2,1-2H3.
What are the key properties of 1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-(cyclohexen-1-yl)propan-2-ol?
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-(cyclohexen-1-yl)propan-2-ol has a molecular weight of 327.27 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-(cyclohexen-1-yl)propan-2-ol is sourced from PubChem (CID 116660265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).